SCHEMBL3606927

SCHEMBL3606927

CCOc1ccc(-c2ccoc2)c(C=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.45
PTK2 Q05397 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
CREBBP Q92793 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TOP2A P11388 1/20 0.34
PELI1 Q96FA3 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12766898 0.85 ERN1 (0.62) ERN1
SCHEMBL3609274 0.81 ERN1 (0.52) ERN1ALDH1A1
SCHEMBL3614065 0.78 ERN1 (0.51) ERN1ALDH1A1TDP1
SCHEMBL3618296 0.77 ERN1 (0.56) ERN1ALDH1A1
SCHEMBL3611783 0.76 ERN1 (0.48) ERN1ALDH1A1
SCHEMBL3614640 0.76 ABCB1 (0.45) ERN1ALDH1A1POLBTDP1
SCHEMBL3614027 0.75 ERN1 (0.55) ERN1ALDH1A1
SCHEMBL3603939 0.74 ERN1 (0.48) ERN1ALDH1A1
SCHEMBL3604661 0.74 ERN1 (0.74) ERN1
SCHEMBL28266855 0.74 ALDH1A1 (0.56) ERN1ALDH1A1TOP2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ERN1 2349/4885PTK2 2532/4885BRD4 957/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.